3NOF
Mycobacterium tuberculosis thioredoxin C C40S mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2004-04-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 65 |
| Unit cell lengths | 75.269, 75.269, 96.028 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.970 - 1.600 |
| R-factor | 0.18227 |
| Rwork | 0.181 |
| R-free | 0.21615 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i1u |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.678 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 27.000 |
| High resolution limit [Å] | 1.600 |
| Rmerge | 0.062 |
| Total number of observations | 761448 |
| Number of reflections | 40668 |
| <I/σ(I)> | 33.5 |
| Completeness [%] | 99.9 |
| Redundancy | 18.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 292 | 0.2M potassium thiocyanate, 2.2M ammonium sulphate, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
